2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

C18H12ClN3 — CID 146983620

IUPAC2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1nc2c(-c3ccccc3)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C18H12ClN3/c19-18-20-17-16(14-9-5-2-6-10-14)11-15(12-22(17)21-18)13-7-3-1-4-8-13/h1-12H
InChIKeyAOUMVBHLRFETBH-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.72
Rot. Bonds2

About 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146983620) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146983620
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1nc2c(-c3ccccc3)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C18H12ClN3/c19-18-20-17-16(14-9-5-2-6-10-14)11-15(12-22(17)21-18)13-7-3-1-4-8-13/h1-12H
InChIKeyAOUMVBHLRFETBH-UHFFFAOYSA-N
XLogP4.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566039
2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638533
5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396983
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737
2-[3-(5-methylbenzo[b]phosphindol-3-yl)-5-phenanthren-9-ylphenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638816
2-(2-fluorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565303
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1,2,4-triphenylbenzene
CID 518325
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 146983620) is 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is Clc1nc2c(-c3ccccc3)cc(-c3ccccc3)cn2n1.
What is the InChIKey of 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AOUMVBHLRFETBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-18-20-17-16(14-9-5-2-6-10-14)11-15(12-22(17)21-18)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 305.77 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146983620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).